职称

教授

学位

博士

电话

邮箱

gaojun@mail.hzau.edu.cn

政治面貌

中共党员

工作单位

华中农业大学信息学院

研究方向

计算生物化学

教育经历

2003.02 - 2005.06, 北京大学，化学与分子工程学院，博士研究生（联合培养）

1999.08 - 2005.06, 山东大学，化学与化工学院，博士研究生（硕博连读）1999/9 - 2005/6，山东大学，物理化学，博士

1993.9 - 1997.7，山东大学，环境工程，学士

主要职历

2015.02 - 至今，华中农业大学，信息学院，教授

2009.12 - 2015.01，山东大学，化学与化工学院，副教授

2012.08 - 2013.02，香港大学，化学院，研究助理

2006.06 - 2009.08，University of Sciences in Philadelphia, Department of Bioinformatics and

Computer Science, 博士后

2006.06 - 2009.08,University of Sciences in Philadelphia, West Center for Computational Chemistry and Drug Design,博士后

科研成果

Researchgate http://www.researchgate.net/profile/Jun_Gao8

(1). Qiang Wang, Jun Gao*, Dongju Zhang, and Chengbu Liu, A theoretical model investigation of peptide bond formation involving two water molecules in ribosome supports the two-step and eight membered ring mechanism, Chemical Physics, 450-451: 1-11,2015.

(2). Fang Liu, Likai Du*, Jun Gao*, Lili Wang, et al., Application of polarizable ellipsoidal force field model to pnicogen bonds, Journal Of Computational Chemistry, 36: 441-448,2015.

(3). Yanfang Zhang, Dongju Zhang, Jun Gao, Jinhua Zhan, et al., New Understanding of the Formation of PCDD/Fs from Chlorophenol Precursors: A Mechanistic and Kinetic Study, The Journal of Physical Chemistry A, 118: 449-456,2014.

(4). Lili Wang, Jun Gao*, Fuzhen Bi, Bo Song, et al., Toward the Development of the Potential with Angular Distortion for Halogen Bond: A Comparison of Potential Energy Surfaces between Halogen Bond and Hydrogen Bond, The Journal of Physical Chemistry A, 118: 9140-9147,2014.

(5). Lili Wang, Xin Che, Huiliang Li, Jun Gao*, et al., Theoretical study on the working mechanism of a reversible light-driven rotary molecular motor, Theoretical Chemistry Accounts, 133: 1-8,2014.

(6). Li Shen, Yuhan Chen, Xiyou Li*, and Jun Gao*, Effects of Substituents on Tetracene Derivatives on Their Stabilities and Singlet Fission, Journal of Molecular Graphics and Modelling, 51: 86-96,2014.

(7). Jingjing Li, Zhe Han, Dongju Zhang, Jun Gao, et al., Mechanistic insight into the hydrodesulfurization of thiophene by a molecular tungsten complex W(PMe3)4(η2-CH2PMe2)H, Applied Catalysis A: General, 487: 54-61,2014.

(8). Xiankai Jiang, Jun Gao, Tien Huynh, Ping Huai, et al., An improved DNA force field for ssDNA interactions with gold nanoparticles, The Journal of Chemical Physics, 140: 234102,2014.

(9). Jinghu Wang, Qianqian Hou, Xiang Sheng, Jun Gao, et al., Theoretical study on the deglycosylation mechanism of rice BGlu1 beta-glucosidase, International Journal Of Quantum Chemistry, 113: 1071-1075,2013.

(10). Xiang Sheng, Jun Gao, Yongjun Liu, and Chengbu Liu, Theoretical study on the proton shuttle mechanism of saccharopine dehydrogenase, Journal of Molecular Graphics and Modelling, 44: 17-25,2013.

(11). Likai Du, Jun Gao*, Fuzhen Bi, Lili Wang, et al., A polarizable ellipsoidal force field for halogen bonds, Journal Of Computational Chemistry, 34: 2032-2040,2013.

(12). Xin Che, Jun Gao*, Yongjun Liu, and Chengbu Liu, Metal vs. chalcogen competition in the catalytic mechanism of cysteine dioxygenase, Journal Of Inorganic Biochemistry, 122: 1-7,2013.

(13). Xin Che, Jun Gao^*, Likai Du, and Chengbu Liu^*, Theoretical Investigation of the High-Spin "Fe-Proximal Oxygen" Catalytic Mechanism of Rat Cysteine Dioxygenase, Journal of Theoretical and Computational Chemistry, 12: 1350001-10,2013.

(14). Fuzhen Bi, Jun Gao*, Lili Wang, Likai Du, et al., Polarization-enhanced bonding process of halogen bond, a theoretical study on F-H/F-X (X;=F,Cl,Br;I) and ammonia, Chemical Physics, 426: 16-22,2013.

(15). Zichang Xiong, Jun Gao*, Dongju Zhang, and Chengbu Liu^*, Hydrogen bond network of 1-alkyl-3-methylimidazolium ionic liquids: a network theory analysis, Journal of Theoretical and Computational Chemistry, 11: 587-598,2012.

(16). Qiang Wang, Jun Gao^*, Yongjun Liu, and Chengbu Liu^*, Molecular dynamics simulation of the interaction between protein tyrosine phosphatase 1B and aryl diketoacid derivatives, Journal of Molecular Graphics and Modelling, 38: 186-193,2012.

(17). Xiangting Sun, Rongxiu Zhu, Jun Gao, Dongju Zhang^*, et al., Theoretical Elucidation on the Regio-, Diastereo-, and Enantio-selectivities of Chiral Primary-Tertiary Diamine Catalyst for Asymmetric Direct Aldol Reactions of Aliphatic Ketones, Journal Of Physical Chemistry A, 116: 7082-7088,2012.

(18). Yuxia Liu, Dongju Zhang^*, Jun Gao, and Chengbu Liu, Theoretical Elucidation of the Mechanism of Cleavage of the Aromatic C-C Bond in Quinoxaline by a Tungsten-Based Complex [W(PMe3)4(η2-CH2PMe2)H], Chemistry-a European Journal, 18: 15537-15545,2012.

(19). Qianqian Hou, Jinhu Wang, Jun Gao, Yongjun Liu^*, et al., QM/MM studies on the catalytic mechanism of Phenylethanolamine N-methyltransferase, Biochimica et Biophysica Acta (BBA) - Proteins and Proteomics, 1824: 533-541,2012.

(20). Qianqian Hou, Jun Gao, Yongjun Liu, and Chengbu Liu, A QM/MM study on the catalytic mechanism of pyruvate decarboxylase, Theoretical Chemistry Accounts, 1312012.

(21). Jun Gao, Zhijun Li^*, Thomas Russell, and Zhiyu Li, Antibody affinity purification using metallic nickel particles, Journal Of Chromatography B, 895-896: 89-93,2012.

(22). Likai Du, Jun Gao^*, Yongjun Liu, Dongju Zhang, et al., The reaction mechanism of hydroxyethylphosphonate dioxygenase: a QM/MM study, Organic & Biomolecular Chemistry, 10: 1014-1024,2012.

(23). Likai Du, Jun Gao^*, Yongjun Liu, and Cheng bu Liu^*, Water-Dependent Reaction Pathways: An Essential Factor for the Catalysis in HEPD Enzyme, Journal Of Physical Chemistry B, 116: 11837-11844,2012.

(24). Xin Che, Jun Gao^*, Dongju Zhang, and Chengbu Liu*, How Do the Thiolate Ligand and its Relative Position Control the Oxygen Activation in the Cysteine Dioxygenase Model?, Journal Of Physical Chemistry A, 116: 5510-5517,2012.

(25). Zhijun Li, Jun Gao, and Vagmita Pabuwal, Analyzing Inter-Residue Interactions for Structure Modeling of Helical Membrane Proteins, Biophysical Journal, 100: 203,2011.

(26). Peng Cui, DongJu Zhang, YongJun Liu, ShiLing Yuan, Jun Gao et al., Tight-binding model method and its applications in DNA molecules, SCIENTIA SINICA Chimica, 41: 748-755,2011.

(27). Qiang Wang, Jun Gao, Yongjun Liu, and Chengbu Liu, Validating a new proton shuttle reaction pathway for formation of the peptide bond in ribosomes: A theoretical investigation, Chemical Physics Letters, 501: 113-117,2010.

(28). Lili Wang, Youmin Sun, Jun Gao, Xianjie Lin, et al., Insights into the control of magnetic coupling in the Mn4III complex: from ferromagnetic to antiferromagnetic, Dalton Transactions, 39: 10249-10255 2010.

(29). Qianqian Hou, Likai Du, Jun Gao, Yongjun Liu, et al., QM/MM Study on the Reaction Mechanism of O6-Alkylguanine−DNA Alkyltransferase, Journal Of Physical Chemistry B, 114: 15296-15300 2010.

(30). Jun Gao and Zhijun Li, Uncover the conserved property underlying sequence-distant and structure-similar proteins, Biopolymers, 93: 340-347,2010.

(31). Jun Gao and Zhijun Li, Comparing four different approaches for the determination of inter-residue interactions provides insight for the structure prediction of helical membrane proteins, Biopolymers, 91: 547-556,2009.

(32). Jun Gao and Zhijun Li, Inter-residue interactions in protein structures exhibit power-law behavior, Biopolymers, 89: 1174-178,2008.

(33). Jun Gao and Zhijun Li, Conserved network properties of helical membrane protein structures and its implication for improving membrane protein homology modeling at the twilight zone, Journal Of Computer-aided Molecular Design,23: 755-763,2008.

(34). Jhenny F. Galan, Jun Gao, Vagmita Pabuwal, Peter J. Meek, et al., Application of Network Theory in Understanding and Predicting Protein Structure and Function, Current Proteomics, 5: 181-190,2008.

(35). Jun Gao, Wenli Zou, Wenjian Liu, Yunlong Xiao, et al., Time-dependent four-component relativistic density-functional theory for excitation energies. II. The exchange-correlation kernel, Journal Of Chemical Physics, 123: 054102 2005.

(36). Jun Gao, Wenjian Liu, Bo Song, and Chengbu Liu, Time-dependent four-component relativistic density functional theory for excitation energies, Journal Of Chemical Physics, 121: 6658,2004.

备注

本课题组拟招聘计算生物化学方向博士后一名